Geometry & MOs

Info

ID:	404499
PubChem CID:	135066558
Reduced:	NSO2F9H16C20 (1)
Stoich.:	ABC2D9E16F20 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-473.86
Dipole, Da:	5.38
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-2-phenyl-6-[(E)-2-phenylethenyl]-1,3-oxazinan-4-one

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/C=C/C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations